1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide

C19H31N3O — CID 2837886

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-5-22(6-2)19(23)17-8-7-13-21(15-17)14-16-9-11-18(12-10-16)20(3)4/h9-12,17H,5-8,13-15H2,1-4H3
InChIKeyKJOMMTWHMFNFFY-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.83
Rot. Bonds6

About 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide

1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2837886) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2837886
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-5-22(6-2)19(23)17-8-7-13-21(15-17)14-16-9-11-18(12-10-16)20(3)4/h9-12,17H,5-8,13-15H2,1-4H3
InChIKeyKJOMMTWHMFNFFY-UHFFFAOYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2837886) is 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is KJOMMTWHMFNFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-22(6-2)19(23)17-8-7-13-21(15-17)14-16-9-11-18(12-10-16)20(3)4/h9-12,17H,5-8,13-15H2,1-4H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2837886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).